Geometry & MOs

Info

ID:	229772
PubChem CID:	87568902
Reduced:	NO5C36H47 (1)
Stoich.:	AB5C36D47 (1)
Weight, g/mol:	454.189257
ΔH_f, kcal/mol:	-161.87
Dipole, Da:	2.73
IP(EA), eV:	-7.94(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(cyclopropylmethoxy)phenyl]-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(=O)OC(C)(C)C)N=C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations